[email protected]
CAS 195723-38-7 2,16,19-Kauranetriol 2-O-beta-D-allopyraside molecular structure lightbox
CAS RN: 195723-38-7

2,16,19-Kauranetriol 2-O-beta-D-allopyraside

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250808 5mg Out of stock 30 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251210 5mg Out of stock Inquiry
  • Product code: starshine_CAS195723-38-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

195723-38-7 / (2R,3R,4R,5S,6R)-2-[[(1S,4S,5R,7S,9S,10R,13R,14R)-14-hydroxy-5-(hydroxymethyl)-5,9,14-trimethyl-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 195723-38-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
195723-38-7
Multi CAS
No
Molecular Formula
C26H44O8
Molecular Weight
484.600000
Exact Mass
484.303618
SMILES
C[C@]1(C[C@H](C[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@](C4)(C)O)C)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)CO)O)O)O)CO
InChI
InChI=1S/C26H44O8/c1-23(13-28)9-15(33-22-21(31)20(30)19(29)16(11-27)34-22)10-24(2)17(23)6-7-26-8-14(4-5-18(24)26)25(3,32)12-26/h14-22,27-32H,4-13H2,1-3H3/t14-,15-,16-,17-,18+,19-,20-,21-,22-,23+,24-,25-,26+/m1/s1
InChIKey
QCOICVPTIKZOPU-YCROVFPPSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
6
Molar refractivity
122.4
TPSA
139.84

LogP / Solubility

WLOGP
0.94
MLOGP
0.86
XLogP3
1.6
Consensus LogP
1.13
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us